1-(4-bromophenyl)-3-(4-fluorophenyl)-2-propen-1-one(126473-61-8) IR1

Product Name1-(4-bromophenyl)-3-(4-fluorophenyl)-2-propen-1-one

CAS 126473-61-8

Molecular FormulaC15H10BrFO

Molecular Weight305.1417032

InChIInChI=1S/C15H10BrFO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H/b10-3+

InChIKey JLKQXQSMJJGERH-XCVCLJGOSA-N

SmilesC(=C/C1=CC=C(C=C1)F)\C(=O)C1C=CC(Br)=CC=1

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1389          
trans-4'-bromo-4-fluorochalcone
C15H10BrFO          (Mass of molecular ion:    304)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      50.0       5.0
      51.0       2.7
      63.0       1.1
      74.0       3.3
      75.0      14.4
      76.0       9.1
      77.0       1.5
      85.0       2.9
      88.0       2.0
      88.5       1.9
      94.0       1.7
      95.0       4.6
      98.0       8.2
      98.5       6.6
      99.0       1.8
     101.0      20.1
     102.0       2.3
     104.0       1.2
     105.0       1.1
     120.0       5.6
     121.0      19.0
     122.0       1.8
     149.0      31.0
     150.0       3.4
     155.0      12.0
     156.0       1.0
     157.0      11.9
     170.0       1.1
     176.0       1.9
     177.0       6.2
     178.0       1.2
     183.0      16.7
     184.0       1.3
     185.0      16.2
     186.0       1.3
     194.0       1.2
     195.0       1.3
     196.0      14.8
     197.0      10.9
     198.0       1.5
     205.0       1.3
     208.0       1.4
     210.0       1.4
     223.0       1.0
     224.0       1.2
     225.0     100.0
     226.0      16.6
     227.0       1.5
     276.0       3.6
     278.0       3.6
     285.0       1.5
     287.0       1.8
     303.0      38.4
     304.0      53.9
     305.0      46.1
     306.0      53.1
     307.0       8.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₀ Br F O	0.041 g : 0.5 ml CDCl₃
trans-4'-bromo-4-fluorochalcone

    Assign.     Shift(ppm)

      A             7.874
      B             7.770
      C             7.64
      D             7.63
      E             7.399
      G             7.110
     
     J(B,E)=15.8HZ, J(G,F-19)=8.4HZ

     Hz     ppm     Int.

   3155.64   7.897     33
   3153.93   7.892     99
   3151.61   7.886    646
   3149.66   7.882    234
   3144.90   7.870    242
   3142.82   7.864    795
   3140.63   7.859    116
   3138.92   7.855     30
   3114.01   7.792    265
   3098.27   7.753    322
   3062.62   7.664     36
   3057.98   7.652    170
   3055.79   7.647   1000
   3053.71   7.641    370
   3049.80   7.632    333
   3048.95   7.630    385
   3047.00   7.625    928
   3044.68   7.619    149
   3043.33   7.615    137
   3041.38   7.611    293
   3040.89   7.609    268
   3038.45   7.603     42
   3037.96   7.602     40
   2963.99   7.417    345
   2963.50   7.416    369
   2948.36   7.378    279
   2947.88   7.377    297
   2852.66   7.138     47
   2849.73   7.131    315
   2847.78   7.126    108
   2844.24   7.117     65
   2843.02   7.114    120
   2841.19   7.110    539
   2839.48   7.105    133
   2834.59   7.093     95
   2832.64   7.088    284
   2829.71   7.081     34

in CDCl3

liquid film

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